On January 31st, it was the last day on the Torribera Campus for our information point technician, Maribel Garrido. After many years at Torribera, we say goodbye to her with great sadness. From here, we want to thank her for all the help she has provided over the years, always being kind, efficient, and available…
Read MoreThese past two days, once again, we had the pleasure of hosting Professor Federico Gago, a full professor at the University of Alcalá (UAH). As it has become a tradition, Professor Gago is one of the invited professors to participate in the Biomedicine Master’s program, where he presented his seminar titled “Pharmaceutical Research: Current Challenges.…
Read MoreWelcome to Valentin Rech, who comes from Julius Maximilian University of Würzburg and has joined the group for a 5-month stay. He will be dealing with the paramaterization of solvation methods using new different solvents. We hope that your stay is fruitful and enriching!
Read MoreFrom 19th ot 22nd of June, 2023, two PhD students from our group, Katerina Barmpidi and Fran Hermoso, participated in the VIII SEQT Summer School “Medicinal Chemistry and Chemical Biology in Drug Discovery: the Pharma Perspective” co-organized by Sociedad Española de Química Terapéutica (SEQT) and GalChimia and the IX Symposium of Medicinal Chemistry for Young Researchers…
Read MoreLast 14th of June, our Eramus+ student former group member, Antonella Iaia coming from Università degli Studi di Bari Aldo Moro, succesfully defended his Laure Magistrale thesis in Bari. The title of her project was “Combination of Quantum Mechanics Methods and Machine Learning Algorithms for an Accurate Estimation of Physicochemical Descriptors in Drug Design”. Her project…
Read MoreKaterina Barmpidi, Carolina Estarellas and F. Javier Luque have recently published a collaborative paper entitled “Structural and dynamic characterization of the hexa-coordinated globin from Spisula solidissima” in the special issue “VSI: Heme is pivotal for life” of “Journal of Inorganic Biochemistry”. This work uses X-ray crystallography and extended Molecular Dynamics simulations to describe the structure and the…
Read MoreAntonio Viayna and F. Javier Luque have recently published a collaborative work entitled “Prediction of Toluene/Water Partition Coefficient in the SAMPL9 Blind Challenge: Assessment of Machine Learning and IEF-PCM/MST Continuum Solvation Models” in the journal PCCP (Physical Chemistry Chemical Physics). In this study, conducted within the context of the SAMPL9 challenge, they focused on dealing with…
Read MoreJavier Vázquez and F. Javier Luque, recent publication in Journal of Chemical Information and Modeling, in collaboration with Tiziana Ginex, Albert Herrero, Christophe Morisseau and Bruce D. Hammock, entitled “Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits” has been selected by the editor as the…
Read MoreLast 5th of May, the members of CBCG group, had the pleasure to recieve the visit of Prof. Dario Estrin, from Universidad de Buenos Aires (UBA). He actually is a Full Professor in the Inorganic, Analytical and Physical Chemistry Department of the UBA. A great part of his research is concentrated in developing and applying computational…
Read MoreWelcome to Fajar Ramadhitya Putera, who is an Erasmus Mundus Master student, that will be in the group with us until September. We hope that you have a fruitful and nice stay!
Read More